Subject: G98: TDDFT with SCRF incoporated to account for Solven effect?

From: "Daniel Mok" <[email-masked]>
Date: Sat, 13 Jul 2002 15:03:35 +0800

Dear all,

I want to determine the transition frequency of a chemical in methanol. The geometry can be determined via SCRF calculaiton to account for the solvent effect.. However, is there any way to include the solvent model in a TDDFT calculation? The G98 manual doesn't give any hint on doing thing like that. Thanks for any kind advice.

Daniel Mok
The Hong Kong Polytechnic University